ethyl 3-cyano-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate

C17H14N4O2 — CID 5309644

IUPACethyl 3-cyano-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(C#N)c(C)nn2c1-c1ccccc1
InChIInChI=1S/C17H14N4O2/c1-3-23-17(22)14-10-19-16-13(9-18)11(2)20-21(16)15(14)12-7-5-4-6-8-12/h4-8,10H,3H2,1-2H3
InChIKeyQBDHIVUMTDZBFJ-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.75
Rot. Bonds3

About ethyl 3-cyano-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 3-cyano-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 5309644) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is ethyl 3-cyano-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyano-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID5309644
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Nameethyl 3-cyano-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(C#N)c(C)nn2c1-c1ccccc1
InChIInChI=1S/C17H14N4O2/c1-3-23-17(22)14-10-19-16-13(9-18)11(2)20-21(16)15(14)12-7-5-4-6-8-12/h4-8,10H,3H2,1-2H3
InChIKeyQBDHIVUMTDZBFJ-UHFFFAOYSA-N
XLogP2.75
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 7-amino-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 649053
Ethyl 7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 679547
Ethyl 7-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 754764
Ethyl 3-(3-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 1003221
Ethyl 2-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 9551527
Ethyl 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 822828
Prop-2-enyl 4-amino-6-methyl-1-pent-4-enylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 9994975
Prop-2-enyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10086279
Ethyl 4-amino-1-benzyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10086715
Prop-2-enyl 4-amino-6-methyl-1-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10355880
Prop-2-enyl 4-amino-6-methyl-1-(3-methylbutyl)pyrazolo[3,4-b]pyridine-5-carboxylate
CID 10357563
Prop-2-enyl 4-amino-6-methyl-1-(3-methylbut-2-enyl)pyrazolo[3,4-b]pyridine-5-carboxylate
CID 10402539

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyano-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 3-cyano-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 5309644) is ethyl 3-cyano-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 3-cyano-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 3-cyano-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2c(C#N)c(C)nn2c1-c1ccccc1.
What is the InChIKey of ethyl 3-cyano-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is QBDHIVUMTDZBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-3-23-17(22)14-10-19-16-13(9-18)11(2)20-21(16)15(14)12-7-5-4-6-8-12/h4-8,10H,3H2,1-2H3.
What are the key properties of ethyl 3-cyano-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 3-cyano-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 306.33 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyano-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 5309644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).